(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

C17H21NO2 — CID 105051741

IUPAC(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2cccc(OC3CC3)c2)c1C
InChIInChI=1S/C17H21NO2/c1-10-11(2)19-12(3)16(10)17(18)13-5-4-6-15(9-13)20-14-7-8-14/h4-6,9,14,17H,7-8,18H2,1-3H3
InChIKeyHBHPGWWQHCCZBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.79
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 105051741) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID105051741
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2cccc(OC3CC3)c2)c1C
InChIInChI=1S/C17H21NO2/c1-10-11(2)19-12(3)16(10)17(18)13-5-4-6-15(9-13)20-14-7-8-14/h4-6,9,14,17H,7-8,18H2,1-3H3
InChIKeyHBHPGWWQHCCZBH-UHFFFAOYSA-N
XLogP3.79
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64740732
(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 103216448
(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
CID 114521727
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
CID 114522245

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (CID 105051741) is (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is Cc1oc(C)c(C(N)c2cccc(OC3CC3)c2)c1C.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is HBHPGWWQHCCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-11(2)19-12(3)16(10)17(18)13-5-4-6-15(9-13)20-14-7-8-14/h4-6,9,14,17H,7-8,18H2,1-3H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 105051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).